6DM9

DHD15_extended

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-09-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00004
Spacegroup name	P 21 21 21
Unit cell lengths	27.854, 92.739, 115.333
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.023 - 2.250
R-factor	0.2645
Rwork	0.261
R-free	0.30970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Computational Design Model
RMSD bond length	0.002
RMSD bond angle	0.411
Data reduction software	XDS (June 17, 2015)
Data scaling software	XDS (June 17, 2015)
Phasing software	PHASER (2.8.2.)
Refinement software	PHENIX ((dev_3084: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.370	1.870
High resolution limit [Å]	1.830	1.830
Rmerge	0.078	2.747
Rmeas	0.084	2.992
Rpim	0.032	1.173
Number of reflections	27334	1646
<I/σ(I)>	12.4	0.6
Completeness [%]	99.8	99.5
Redundancy	6.9	6.3
CC(1/2)	0.999	0.259

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	290.15	0.2M Ammonium sulfate, 0.1M Bis-Tris pH 6.5, 18% (v/v) PEG 400